SCHEMBL4035000

SCHEMBL4035000

NC(=O)C1CN(C(=O)c2ccc(Oc3ccccc3)cc2)CC[N+]1(Cc1ccc(F)cc1)C(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
PARP10 Q53GL7 9/20 0.43
PARP14 Q460N5 6/20 0.42
PARP1 P09874 1/20 0.42
PRKAA2 P54646 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
HSD11B1 P28845 1/20 0.39
SLC18A3 Q16572 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4032604 0.69 ALDH1A1 (0.52) PRKAA2CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL27964887 0.64 SLC6A7 (0.62) PRKAA2MEN1KMT2ANPC1RAB9A
SCHEMBL7958924 0.63 S1PR2 (0.55) HTTPARP10PARP14PARP1PRKAA2
SCHEMBL5635838 0.62 LMNA (0.45) MEN1KMT2AATM
SCHEMBL1222295 0.62 RAB9A (0.58) HTTPARP10PARP14PARP1PRKAA2
SCHEMBL912218 0.62 MGLL (0.56) PRKAA2MEN1KMT2ANPC1RAB9A
SCHEMBL19791782 0.62 KMT2A (0.51) PARP10MEN1KMT2ACHRNB2CHRNB4
SCHEMBL912776 0.62 SLC6A7 (0.57) MEN1KMT2ANPC1
SCHEMBL30600007 0.61 HTT (0.62) HTTPARP10PARP14MEN1KMT2A
SCHEMBL15949260 0.61 MGLL (0.67) HTTPARP10PARP14MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1592389-B1 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES SERONO LAB (CH) 2009-04-22 EP claimed